N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L383-1384 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)c1ccc(nn1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0428 |
| logD: | 4.0428 |
| logSw: | -3.9817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.834 |
| InChI Key: | NPRYNWWYLYOOLI-UHFFFAOYSA-N |